logo   logo
logo Search | Help | MolPaint | Roadmap | Credits | Feedback


NCID-ZINC01568067

 MMsINC code: MMs02229022
Type: Neutral
Formula: C18H18F6N2O
SMILES:   FC(F)(F)c1c2nc(cc(c2ccc1)C(O)CC1NCCCC1)C(F)(F)F
InChI:   InChI=1/C18H18F6N2O/c19-17(20,21)13-6-3-5-11-12(9-15(18(22,23)24)26-16(11)13)14(27)8-10-4-1-2-7-25-10/h3,5-6,9-10,14,25,27H,1-2,4,7-8H2/t10-,14-/m1/s1

Download   format file 
Drug Similarity  |  Similarity to PDB ligands  
This browser does not support Java Applets.
Get the latest Java Plug-in here.
download 2D Mol File



download 3D Mol File

Potential Energy
Epot(MMFF94)=90.4776 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.343 g/mol  logS: -4.73332  SlogP: 5.5565  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0604248  Sterimol/B1: 2.49864  Sterimol/B2: 2.66401  Sterimol/B3: 4.0278
  Sterimol/B4: 8.6627  Sterimol/L: 15.8009 
 
 Surface and Volume Properties
  Accessible surface: 575.87  Positive charged surface: 279.853  Negative charged surface: 291.296  Volume: 317.375
  Hydrophobic surface: 328.51  Hydrophilic surface: 247.36
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs02229023
NCID-ZINC01568067